4-(trifluoromethyl)-2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-oxazole-5-carboxylic acid

C11H10F6N2O3 — CID 87343436

IUPAC4-(trifluoromethyl)-2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-oxazole-5-carboxylic acid
SMILESO=C(O)c1oc(N2CCC(C(F)(F)F)CC2)nc1C(F)(F)F
InChIInChI=1S/C11H10F6N2O3/c12-10(13,14)5-1-3-19(4-2-5)9-18-7(11(15,16)17)6(22-9)8(20)21/h5H,1-4H2,(H,20,21)
InChIKeyYHYKISSJKDTAAW-UHFFFAOYSA-N
MW332.20 g/mol
LogP3.17
Rot. Bonds2

About 4-(trifluoromethyl)-2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-oxazole-5-carboxylic acid

4-(trifluoromethyl)-2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-oxazole-5-carboxylic acid (PubChem CID 87343436) has the molecular formula C11H10F6N2O3 and a molecular weight of 332.20 g/mol. Its IUPAC name is 4-(trifluoromethyl)-2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(trifluoromethyl)-2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-oxazole-5-carboxylic acid
PubChem CID87343436
Molecular FormulaC11H10F6N2O3
Molecular Weight332.20 g/mol
Exact Mass332.06
IUPAC Name4-(trifluoromethyl)-2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-oxazole-5-carboxylic acid
SMILESO=C(O)c1oc(N2CCC(C(F)(F)F)CC2)nc1C(F)(F)F
InChIInChI=1S/C11H10F6N2O3/c12-10(13,14)5-1-3-19(4-2-5)9-18-7(11(15,16)17)6(22-9)8(20)21/h5H,1-4H2,(H,20,21)
InChIKeyYHYKISSJKDTAAW-UHFFFAOYSA-N
XLogP3.17
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.20
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)-2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 4-(trifluoromethyl)-2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-oxazole-5-carboxylic acid (CID 87343436) is 4-(trifluoromethyl)-2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 4-(trifluoromethyl)-2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 4-(trifluoromethyl)-2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-oxazole-5-carboxylic acid is O=C(O)c1oc(N2CCC(C(F)(F)F)CC2)nc1C(F)(F)F.
What is the InChIKey of 4-(trifluoromethyl)-2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-oxazole-5-carboxylic acid?
The InChIKey is YHYKISSJKDTAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F6N2O3/c12-10(13,14)5-1-3-19(4-2-5)9-18-7(11(15,16)17)6(22-9)8(20)21/h5H,1-4H2,(H,20,21).
What are the key properties of 4-(trifluoromethyl)-2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-oxazole-5-carboxylic acid?
4-(trifluoromethyl)-2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-oxazole-5-carboxylic acid has a molecular weight of 332.20 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)-2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 87343436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).